(2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate

C10H14N2O6 — CID 24787101

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate
SMILESCCO/C(C)=N/OCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O6/c1-3-16-7(2)11-17-6-10(15)18-12-8(13)4-5-9(12)14/h3-6H2,1-2H3/b11-7+
InChIKeyJWVFJIBHWMWCHC-YRNVUSSQSA-N
MW258.23 g/mol
LogP-0.02
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate

(2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate (PubChem CID 24787101) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate
PubChem CID24787101
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate
SMILESCCO/C(C)=N/OCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O6/c1-3-16-7(2)11-17-6-10(15)18-12-8(13)4-5-9(12)14/h3-6H2,1-2H3/b11-7+
InChIKeyJWVFJIBHWMWCHC-YRNVUSSQSA-N
XLogP-0.02
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate (CID 24787101) is (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate is CCO/C(C)=N/OCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate?
The InChIKey is JWVFJIBHWMWCHC-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-3-16-7(2)11-17-6-10(15)18-12-8(13)4-5-9(12)14/h3-6H2,1-2H3/b11-7+.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate?
(2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate has a molecular weight of 258.23 g/mol, XLogP of -0.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(E)-1-ethoxyethylideneamino]oxyacetate is sourced from PubChem (CID 24787101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).